N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide

C24H24N6O3 — CID 70692177

IUPACN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccno2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H24N6O3/c1-16-3-4-17(27-23(31)22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)
InChIKeyWXNZQVYLCGNHQK-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.69
Rot. Bonds4

About N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide

N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 70692177) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID70692177
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccno2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H24N6O3/c1-16-3-4-17(27-23(31)22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)
InChIKeyWXNZQVYLCGNHQK-UHFFFAOYSA-N
XLogP2.69
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-((4-(4-methylpiperazin-1-yl)phenyl)methyl)-1,2-oxazole-5-carboxamide
CID 2738575
Isoxazole-5-carboxylic acid [4-(4-methyl-3-oxo-3,4-dihydro-quinoxalin-2-ylamino)-phenyl]-amide
CID 11451272
N-isoxazol-5-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide
CID 11996858
N-[5-[[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]isoxazole-5-carboxamide
CID 16745811
5-Isoxazoyl-Cha-Ile-4-aminophenyl-(4-[aminomethyl]piperidin-1-yl)ethan-2-one
CID 49788380
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethyl]piperidin-1-yl)methanone
CID 49788440
N-[2-methyl-5-[oxo-[3-(1-oxoprop-2-enylamino)-5-(trifluoromethyl)anilino]methyl]phenyl]-5-isoxazolecarboxamide
CID 73265214
N-[(2S)-1-(2-carbamoylanilino)-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156013443
3-[[4-[4-(1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 68173655
N-[3-[(4-methyl-3-oxoquinoxalin-2-yl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 44403054
N-[(2S)-1-[[(2S,3S)-1-[[3-[4-(2-aminoethyl)anilino]-3-oxopropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 49788309

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide (CID 70692177) is N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2ccno2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is WXNZQVYLCGNHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16-3-4-17(27-23(31)22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31).
What are the key properties of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide?
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70692177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).